3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione

C23H19NO3S — CID 110567352

IUPAC3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
SMILESCCSC1=C(c2ccccc2OC)C(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C23H19NO3S/c1-3-28-21-20(17-12-6-7-14-19(17)27-2)22(25)24(23(21)26)18-13-8-10-15-9-4-5-11-16(15)18/h4-14H,3H2,1-2H3
InChIKeyDZDMOLGCZIXKCA-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.89
Rot. Bonds5

About 3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione

3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione (PubChem CID 110567352) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
PubChem CID110567352
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
SMILESCCSC1=C(c2ccccc2OC)C(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C23H19NO3S/c1-3-28-21-20(17-12-6-7-14-19(17)27-2)22(25)24(23(21)26)18-13-8-10-15-9-4-5-11-16(15)18/h4-14H,3H2,1-2H3
InChIKeyDZDMOLGCZIXKCA-UHFFFAOYSA-N
XLogP4.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567393
3-(2-methoxyphenyl)-4-(N-methylanilino)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110567349
1-[4-(diethylamino)phenyl]-3-ethylsulfanyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565310
3-benzylsulfanyl-1-(5-chloro-2-methylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566858
1-(3-chloro-4-fluorophenyl)-3-ethylsulfanyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567109
1-(3-chloro-2-methylphenyl)-3-(2-hydroxyethylsulfanyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566727
3-benzylsulfanyl-1-(4-chloro-2-methylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567547
3-ethylsulfanyl-1-(furan-2-ylmethyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565616
3-[3-(hydroxymethyl)piperidin-1-yl]-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110567350
1-(2-chlorophenyl)-3-(2-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110567863
3-benzylsulfanyl-1-(3,4-dimethylphenyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566918
1-(2,4-difluorophenyl)-3-(furan-2-ylmethylsulfanyl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567796

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione (CID 110567352) is 3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione is CCSC1=C(c2ccccc2OC)C(=O)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of 3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione?
The InChIKey is DZDMOLGCZIXKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c1-3-28-21-20(17-12-6-7-14-19(17)27-2)22(25)24(23(21)26)18-13-8-10-15-9-4-5-11-16(15)18/h4-14H,3H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione?
3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione has a molecular weight of 389.48 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-4-(2-methoxyphenyl)-1-naphthalen-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110567352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).